methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate

C16H23NO5 — CID 22466648

IUPACmethyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
SMILESCOC(=O)c1ccc(OC)c(OCCCN2CCOCC2)c1
InChIInChI=1S/C16H23NO5/c1-19-14-5-4-13(16(18)20-2)12-15(14)22-9-3-6-17-7-10-21-11-8-17/h4-5,12H,3,6-11H2,1-2H3
InChIKeyCKQJPOFVWCMVGK-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.58
Rot. Bonds7

About methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate

methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate (PubChem CID 22466648) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
PubChem CID22466648
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Namemethyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
SMILESCOC(=O)c1ccc(OC)c(OCCCN2CCOCC2)c1
InChIInChI=1S/C16H23NO5/c1-19-14-5-4-13(16(18)20-2)12-15(14)22-9-3-6-17-7-10-21-11-8-17/h4-5,12H,3,6-11H2,1-2H3
InChIKeyCKQJPOFVWCMVGK-UHFFFAOYSA-N
XLogP1.58
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605
4-methoxy-N-(2-morpholin-4-ylethyl)-3-pentoxybenzamide
CID 19363436
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806
4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile
CID 10356088
2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
CID 61321668
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
N-ethyl-3-methoxy-4-(2-morpholin-4-ylethoxy)benzamide
CID 166767320
methyl 3-(3-bromopropoxy)-4-(morpholin-4-ylmethyl)benzoate
CID 67530674
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452
methyl 3-(4-bromobutoxy)-4-methoxybenzoate
CID 168958426
(1E,4E)-1,5-bis[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]penta-1,4-dien-3-one
CID 127035896

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate?
The IUPAC name of methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate (CID 22466648) is methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate.
What is the SMILES notation for methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate?
The canonical SMILES for methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate is COC(=O)c1ccc(OC)c(OCCCN2CCOCC2)c1.
What is the InChIKey of methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate?
The InChIKey is CKQJPOFVWCMVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-19-14-5-4-13(16(18)20-2)12-15(14)22-9-3-6-17-7-10-21-11-8-17/h4-5,12H,3,6-11H2,1-2H3.
What are the key properties of methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate?
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate has a molecular weight of 309.36 g/mol, XLogP of 1.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate is sourced from PubChem (CID 22466648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).